2,4,6-trimethylbenzyl bromide

• CAS: 4761-00-6
• Catalog Number: ACM4761006
• Category: Bromine Series
• Molecular Weight: 213.1142
• Molecular Formula: C₁₀H₁₃Br
• Synonyms: NSC31898, CID233400, 2-Bromomethyl-1,3,5-trimethylbenzene, 4761-00-6
• IUPAC Name: 2-(bromomethyl)-1,3,5-trimethylbenzene
• Canonical SMILES: CC1=CC(=C(C(=C1)C)CBr)C
• InChI Key: HIQNEJUMZTWMLW-UHFFFAOYSA-N
• Boiling Point: 256.9ºC at 760mmHg
• Flash Point: 113.2ºC
• Density: 1.27g/cm³
• Exact Mass: 212.02000
• H-Bond Acceptor: 0
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2,4,6-trimethylbenzyl bromide?

The molecular formula of 2,4,6-trimethylbenzyl bromide is C10H13Br.

What is the molecular weight of 2,4,6-trimethylbenzyl bromide?

The molecular weight of 2,4,6-trimethylbenzyl bromide is 213.11 g/mol.

What is the IUPAC name of 2,4,6-trimethylbenzyl bromide?

The IUPAC name of 2,4,6-trimethylbenzyl bromide is 2-(bromomethyl)-1,3,5-trimethylbenzene.

What is the InChI code of 2,4,6-trimethylbenzyl bromide?

The InChI code of 2,4,6-trimethylbenzyl bromide is InChI=1S/C10H13Br/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3.

What is the InChIKey of 2,4,6-trimethylbenzyl bromide?

The InChIKey of 2,4,6-trimethylbenzyl bromide is HIQNEJUMZTWMLW-UHFFFAOYSA-N.

What is the CAS number of 2,4,6-trimethylbenzyl bromide?

The CAS number of 2,4,6-trimethylbenzyl bromide is 4761-00-6.

What is the EC number of 2,4,6-trimethylbenzyl bromide?

The EC number of 2,4,6-trimethylbenzyl bromide is 807-472-4.

What is the DSSTox Substance ID of 2,4,6-trimethylbenzyl bromide?

The DSSTox Substance ID of 2,4,6-trimethylbenzyl bromide is DTXSID90283507.

What is the XLogP3-AA value of 2,4,6-trimethylbenzyl bromide?

The XLogP3-AA value of 2,4,6-trimethylbenzyl bromide is 3.6.

Is 2,4,6-trimethylbenzyl bromide a canonicalized compound?

Yes, 2,4,6-trimethylbenzyl bromide is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 4170-90-5

• 4761-00-6

Reference: [1] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 1397 - 1405

Upstream Synthesis Route 2

• 50-00-0
• 108-67-8

• 4761-00-6

Reference: [1] Journal of Organic Chemistry, 1993, vol. 58, # 5, p. 1262 - 1263
[2] Asian Journal of Chemistry, 2013, vol. 25, # 3, p. 1290 - 1292
[3] Chemische Berichte, 1983, vol. 116, # 1, p. 119 - 135
[4] Journal of the Indian Chemical Society, 1999, vol. 76, # 4, p. 216 - 217
[5] RSC Advances, 2016, vol. 6, # 23, p. 19612 - 19619

Upstream Synthesis Route 3

• 110-88-3
• 108-67-8

• 4761-00-6

Reference: [1] Journal of Organic Chemistry, 1999, vol. 64, # 19, p. 7140 - 7152

Upstream Synthesis Route 4

• 4170-90-5

• 4761-00-6

Reference: [1]Beilstein Journal of Organic Chemistry,2014,vol. 10,p. 1397 - 1405

Downstream Synthesis Route 1

• 4170-90-5
• 4761-00-6

• 4709-84-6

Reference: [1]Journal of the Chemical Society. Perkin transactions II,1977,p. 803 - 809

* For details of the synthesis route, please refer to the original source to ensure accuracy.